#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsb s SER 2 N 0.00 2.21 -0.96 1.61 0.15 -1.26 -5.06 113.70 110.39 2gsb s SER 2 Ca 0.00 -0.38 -0.25 0.00 0.70 0.00 0.00 55.95 56.02 2gsb s SER 2 Cb 0.00 -1.00 -0.10 0.00 -1.71 0.00 0.00 66.02 63.20 2gsb s SER 2 CO 0.00 0.04 2.08 -0.94 1.20 0.00 0.00 173.24 175.63 2gsb s SER 3 N 0.75 4.57 0.00 5.45 1.04 -1.26 -3.95 113.70 120.29 2gsb s SER 3 Ca -0.12 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2gsb s SER 3 Cb -0.16 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2gsb s SER 3 CO 0.03 -3.38 0.00 0.61 0.98 0.00 0.00 173.24 171.47 2gsb n GLY 4 N 6.53 -0.73 0.12 7.32 0.00 -1.26 -5.07 105.19 112.10 2gsb n GLY 4 Ca 0.43 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 2gsb n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2gsb h SER 5 N 0.00 -0.18 -3.09 1.61 0.87 -2.04 -3.42 113.55 107.29 2gsb h SER 5 Ca 0.00 -0.04 -0.66 0.00 -1.23 0.00 0.00 61.79 59.86 2gsb h SER 5 Cb 0.00 0.05 -0.11 0.00 -0.44 0.00 0.00 62.40 61.90 2gsb h SER 5 CO 0.00 -0.08 -0.57 -0.44 -0.53 0.00 0.00 176.83 175.21 2gsb s SER 6 N -5.06 5.67 -0.34 6.23 0.01 -1.26 -5.08 113.70 113.87 2gsb s SER 6 Ca -0.14 0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.31 2gsb s SER 6 Cb 0.05 -1.65 0.14 0.00 0.21 0.00 0.00 66.02 64.77 2gsb s SER 6 CO 0.65 0.31 0.28 -0.83 0.41 0.00 0.00 173.24 174.06 2gsb s GLY 7 N -1.48 0.30 -1.13 3.44 0.00 -1.26 -4.94 107.32 102.25 2gsb s GLY 7 Ca 0.20 -1.17 -0.04 0.00 0.00 0.00 0.00 44.72 43.71 2gsb s GLY 7 CO 0.10 2.44 0.10 -2.13 0.00 0.00 0.00 173.10 173.62 2gsb n ARG 8 N 4.46 -0.92 -3.84 2.90 0.63 -1.26 -4.88 116.66 113.75 2gsb n ARG 8 Ca 0.07 0.07 -0.13 0.00 -0.92 0.00 0.00 57.85 56.94 2gsb n ARG 8 Cb 0.42 -2.67 -0.15 0.00 0.45 0.00 0.00 32.46 30.52 2gsb n ARG 8 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2gsb s GLU 9 N -5.85 0.01 -0.03 -0.14 0.41 -1.26 -5.15 118.70 106.68 2gsb s GLU 9 Ca 0.14 0.07 0.06 0.00 -0.41 0.00 0.00 54.97 54.83 2gsb s GLU 9 Cb -0.08 -0.12 -0.01 0.00 -1.78 0.00 0.00 34.13 32.14 2gsb s GLU 9 CO 0.70 -0.06 -0.20 -1.21 -0.49 0.00 0.00 175.26 174.00 2gsb s GLU 10 N 0.42 1.77 -0.01 1.61 2.02 -1.26 -5.05 118.70 118.19 2gsb s GLU 10 Ca -0.03 -0.71 0.07 0.00 0.02 0.00 0.00 54.97 54.32 2gsb s GLU 10 Cb -0.05 -1.63 -0.02 0.00 0.10 0.00 0.00 34.13 32.53 2gsb s GLU 10 CO -0.01 0.37 -0.23 0.34 0.02 0.00 0.00 175.26 175.75 2gsb s ASP 11 N -0.29 2.69 0.08 -0.19 2.15 -1.26 -5.05 116.67 114.80 2gsb s ASP 11 Ca 0.03 -0.43 -0.17 0.00 0.43 0.00 0.00 52.55 52.41 2gsb s ASP 11 Cb -0.09 -0.29 -0.10 0.00 -0.30 0.00 0.00 42.92 42.13 2gsb s ASP 11 CO 0.01 0.27 1.40 1.55 -0.17 0.00 0.00 175.17 178.22 2gsb h PRO 12 N 5.46 0.59 -0.77 4.34 0.13 -2.02 -3.16 132.00 136.57 2gsb h PRO 12 Ca -0.41 -0.31 0.03 0.00 -0.87 0.00 0.00 66.00 64.44 2gsb h PRO 12 Cb 1.13 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2gsb h PRO 12 CO 0.47 0.91 0.51 1.25 -0.23 0.00 0.00 178.00 180.91 2gsb h HIS 13 N 0.30 0.93 -0.12 1.56 2.76 -2.01 -2.42 115.15 116.15 2gsb h HIS 13 Ca 0.04 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.11 2gsb h HIS 13 Cb 0.80 -0.31 -0.05 0.00 1.55 0.00 0.00 27.41 29.40 2gsb h HIS 13 CO 0.08 0.55 -0.02 0.39 -1.30 0.00 0.00 177.93 177.63 2gsb n GLU 14 N -4.44 1.43 0.00 5.26 -0.58 -1.19 -3.45 120.64 117.66 2gsb n GLU 14 Ca 0.10 -0.58 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 2gsb n GLU 14 Cb 0.10 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 2gsb n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gsb n GLY 15 N 1.55 0.00 3.43 0.62 0.00 -0.91 -4.88 105.19 105.00 2gsb n GLY 15 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 2gsb n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gsb n LYS 16 N -0.85 0.44 0.16 1.61 4.76 -1.22 -4.85 118.16 118.21 2gsb n LYS 16 Ca 0.00 0.16 0.01 0.00 -2.87 0.00 0.00 58.31 55.61 2gsb n LYS 16 Cb 0.02 -1.34 0.28 0.00 -1.84 0.00 0.00 35.03 32.15 2gsb n LYS 16 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 2gsb h ILE 17 N 0.95 1.33 0.00 -0.18 2.10 -1.94 -2.89 117.51 116.87 2gsb h ILE 17 Ca -0.36 -1.57 -0.18 0.00 1.08 0.00 0.00 64.86 63.83 2gsb h ILE 17 Cb 1.41 1.83 -0.03 0.00 -1.09 0.00 0.00 36.82 38.94 2gsb h ILE 17 CO 0.53 0.45 -0.94 4.11 -1.08 0.00 0.00 178.15 181.22 2gsb h TRP 18 N 0.03 0.00 -3.45 2.19 5.08 -1.89 -3.42 115.95 114.48 2gsb h TRP 18 Ca -0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 2gsb h TRP 18 Cb 0.81 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.96 2gsb h TRP 18 CO 0.00 0.83 0.41 0.12 -1.28 0.00 0.00 178.44 178.53 2gsb s PHE 19 N -2.78 3.67 -0.11 0.12 5.36 -1.09 -2.19 117.98 120.95 2gsb s PHE 19 Ca 0.01 1.66 -0.01 0.00 -0.96 0.00 0.00 56.93 57.63 2gsb s PHE 19 Cb 0.09 -3.17 0.03 0.00 -0.34 0.00 0.00 43.02 39.63 2gsb s PHE 19 CO 0.80 -0.22 -0.04 -1.01 -1.46 0.00 0.00 175.22 173.29 2gsb s HIS 20 N 0.48 1.18 0.00 10.12 3.76 -1.07 -4.70 115.29 125.06 2gsb s HIS 20 Ca 0.51 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 2gsb s HIS 20 Cb -0.24 -1.07 0.00 0.00 1.11 0.00 0.00 32.58 32.38 2gsb s HIS 20 CO 0.30 -0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.13 2gsb n GLY 21 N 5.02 0.00 0.30 -2.22 0.00 -1.26 -4.63 105.19 102.40 2gsb n GLY 21 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 2gsb n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2gsb h LYS 22 N 0.00 1.03 -7.37 1.61 2.10 -1.99 -3.43 116.57 108.52 2gsb h LYS 22 Ca 0.00 -0.14 -0.44 0.00 -2.00 0.00 0.00 60.65 58.08 2gsb h LYS 22 Cb 0.83 -0.19 0.17 0.00 -0.90 0.00 0.00 32.23 32.14 2gsb h LYS 22 CO 0.00 0.79 0.16 0.96 -2.00 0.00 0.00 179.45 179.36 2gsb s ILE 23 N -5.77 1.85 0.50 0.07 -4.36 -1.26 -5.08 121.20 107.15 2gsb s ILE 23 Ca -0.13 0.00 0.06 0.00 -0.26 0.00 0.00 60.65 60.32 2gsb s ILE 23 Cb 0.15 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.38 2gsb s ILE 23 CO 0.80 0.00 0.31 -0.55 0.24 0.00 0.00 174.94 175.74 2gsb s SER 24 N -3.59 4.57 0.10 4.36 0.15 -1.26 -4.96 113.70 113.06 2gsb s SER 24 Ca 0.68 -1.21 -0.27 0.00 0.70 0.00 0.00 55.95 55.84 2gsb s SER 24 Cb -0.16 0.15 -0.12 0.00 -1.71 0.00 0.00 66.02 64.18 2gsb s SER 24 CO 0.57 -0.92 1.67 0.50 1.20 0.00 0.00 173.24 176.26 2gsb h LYS 25 N 0.99 -0.41 0.76 5.44 3.64 -1.97 -0.94 116.57 124.08 2gsb h LYS 25 Ca -0.39 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 2gsb h LYS 25 Cb 1.29 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2gsb h LYS 25 CO 0.62 -0.27 -0.45 1.96 -2.27 0.00 0.00 179.45 179.04 2gsb h GLN 26 N -0.42 -1.10 -0.58 1.90 4.20 -2.02 -3.08 115.11 114.01 2gsb h GLN 26 Ca -0.00 0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.87 2gsb h GLN 26 Cb 0.39 0.25 -0.11 0.00 0.30 0.00 0.00 27.48 28.31 2gsb h GLN 26 CO -0.04 -0.73 -0.42 0.93 -0.67 0.00 0.00 178.83 177.91 2gsb h GLU 27 N -1.14 -0.21 -0.77 1.46 5.08 -1.95 -0.25 114.58 116.80 2gsb h GLU 27 Ca -0.10 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.43 2gsb h GLU 27 Cb 0.91 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 30.06 2gsb h GLU 27 CO 0.11 -0.14 -0.17 0.00 -1.00 0.00 0.00 179.01 177.81 2gsb n ALA 28 N -3.15 0.21 -0.12 3.43 0.00 -0.36 0.16 120.51 120.66 2gsb n ALA 28 Ca 0.02 0.85 -0.06 0.00 0.00 0.00 0.00 53.44 54.25 2gsb n ALA 28 Cb 0.35 -0.52 0.03 0.00 0.00 0.00 0.00 19.45 19.31 2gsb n ALA 28 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2gsb h TYR 29 N 0.00 0.31 -0.57 0.00 0.05 -1.03 -1.95 116.97 113.78 2gsb h TYR 29 Ca 0.38 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 59.10 2gsb h TYR 29 Cb 0.60 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 2gsb h TYR 29 CO -0.57 0.14 0.05 -0.91 -1.05 0.00 0.00 178.16 175.82 2gsb h ASN 30 N 0.35 0.95 0.18 3.88 4.21 0.17 -3.03 115.58 122.28 2gsb h ASN 30 Ca 0.18 -0.28 -0.00 0.00 1.21 0.00 0.00 56.30 57.40 2gsb h ASN 30 Cb 0.13 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 2gsb h ASN 30 CO -0.16 0.99 -0.22 -0.07 -1.29 0.00 0.00 177.43 176.68 2gsb h LEU 31 N 0.87 -0.63 -1.21 1.61 3.38 -0.04 0.30 115.31 119.60 2gsb h LEU 31 Ca 0.17 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2gsb h LEU 31 Cb 0.48 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2gsb h LEU 31 CO 0.02 -0.28 0.49 -0.07 0.09 0.00 0.00 178.44 178.69 2gsb h LEU 32 N -0.42 0.00 0.00 1.67 3.38 -1.43 1.16 115.31 119.68 2gsb h LEU 32 Ca -0.02 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.68 2gsb h LEU 32 Cb 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2gsb h LEU 32 CO -0.05 0.00 -1.70 0.23 0.09 0.00 0.00 178.44 177.01 2gsb n MET 33 N -2.55 0.63 0.00 1.13 2.81 -0.24 -2.99 117.12 115.91 2gsb n MET 33 Ca -0.01 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 2gsb n MET 33 Cb 0.52 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 2gsb n MET 33 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2gsb n THR 34 N -2.98 0.00 -0.11 2.03 -2.24 0.36 -4.78 114.28 106.56 2gsb n THR 34 Ca -0.16 0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 2gsb n THR 34 Cb 1.01 -1.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 2gsb n THR 34 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2gsb h VAL 35 N 0.00 1.22 -1.91 2.28 -1.51 -0.75 -3.44 116.25 112.13 2gsb h VAL 35 Ca 0.00 -0.75 -0.02 0.00 -1.23 0.00 0.00 66.70 64.69 2gsb h VAL 35 Cb 0.00 1.08 0.01 0.00 -2.13 0.00 0.00 31.29 30.25 2gsb h VAL 35 CO 0.00 0.25 0.02 0.61 -1.23 0.00 0.00 177.57 177.22 2gsb n GLY 36 N -0.56 -1.64 3.72 5.19 0.00 -0.26 -4.82 105.19 106.82 2gsb n GLY 36 Ca -0.02 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 2gsb n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gsb s GLN 37 N -3.15 2.14 0.00 1.61 0.74 -1.16 -4.59 119.66 115.24 2gsb s GLN 37 Ca 0.04 -1.53 0.15 0.00 0.05 0.00 0.00 55.36 54.08 2gsb s GLN 37 Cb -0.00 0.57 0.91 0.00 1.10 0.00 0.00 33.01 35.59 2gsb s GLN 37 CO 0.03 -0.97 1.33 1.55 -0.55 0.00 0.00 175.29 176.68 2gsb n VAL 38 N -0.54 0.00 -1.32 1.34 3.14 -1.26 -1.97 118.33 117.72 2gsb n VAL 38 Ca -0.06 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.40 2gsb n VAL 38 Cb 0.60 -0.67 0.11 0.00 -1.06 0.00 0.00 33.84 32.82 2gsb n VAL 38 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gsb s SER 40 N -2.47 1.40 0.35 0.00 1.04 -0.83 -3.18 113.70 110.00 2gsb s SER 40 Ca 0.25 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.78 2gsb s SER 40 Cb 0.23 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2gsb s SER 40 CO 0.01 -0.35 0.41 0.72 0.98 0.00 0.00 173.24 175.01 2gsb s PHE 41 N -3.06 1.41 -0.02 5.02 -0.71 -1.25 -3.80 117.98 115.58 2gsb s PHE 41 Ca 0.10 -1.49 -0.29 0.00 -1.04 0.00 0.00 56.93 54.21 2gsb s PHE 41 Cb 0.01 -0.35 0.10 0.00 -1.21 0.00 0.00 43.02 41.57 2gsb s PHE 41 CO -0.02 -1.06 0.88 -0.48 -1.34 0.00 0.00 175.22 173.21 2gsb s LEU 42 N -3.31 -0.38 -0.11 -1.99 0.05 -1.15 -0.89 118.68 110.89 2gsb s LEU 42 Ca 0.35 0.08 0.00 0.00 0.05 0.00 0.00 54.13 54.61 2gsb s LEU 42 Cb 0.00 2.05 -0.02 0.00 -2.05 0.00 0.00 46.19 46.17 2gsb s LEU 42 CO 0.25 -0.60 -0.12 -0.69 -0.55 0.00 0.00 176.35 174.64 2gsb s VAL 43 N -2.82 3.21 -0.00 1.48 1.01 -0.93 -2.20 120.40 120.14 2gsb s VAL 43 Ca 0.03 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2gsb s VAL 43 Cb -0.01 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 2gsb s VAL 43 CO -0.07 0.54 -0.02 -0.60 0.00 0.00 0.00 175.10 174.95 2gsb s ARG 44 N -0.01 0.16 0.09 2.72 3.52 -1.07 -2.58 118.95 121.78 2gsb s ARG 44 Ca -0.03 -0.07 -0.31 0.00 -0.13 0.00 0.00 55.73 55.19 2gsb s ARG 44 Cb -0.14 -0.15 -0.07 0.00 -1.56 0.00 0.00 34.95 33.03 2gsb s ARG 44 CO 0.04 0.04 1.38 -1.25 -0.81 0.00 0.00 175.30 174.70 2gsb s PRO 45 N -0.06 4.32 1.21 5.12 0.04 -1.26 -1.66 135.00 142.71 2gsb s PRO 45 Ca 0.01 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 2gsb s PRO 45 Cb -0.01 -3.32 0.28 0.00 0.04 0.00 0.00 34.50 31.49 2gsb s PRO 45 CO -0.00 -0.45 0.83 0.45 0.04 0.00 0.00 177.00 177.87 2gsb n SER 46 N 4.22 -2.13 -0.00 6.66 2.88 -0.16 -4.90 113.62 120.19 2gsb n SER 46 Ca 0.12 -0.25 -0.03 0.00 -1.33 0.00 0.00 58.87 57.38 2gsb n SER 46 Cb 0.43 -1.18 -0.01 0.00 -0.75 0.00 0.00 64.21 62.70 2gsb n SER 46 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2gsb n ASP 47 N -4.54 0.72 -0.09 -3.46 2.03 -1.26 -4.73 116.55 105.21 2gsb n ASP 47 Ca 0.02 0.10 -0.07 0.00 0.52 0.00 0.00 54.79 55.37 2gsb n ASP 47 Cb 0.56 -0.25 -0.00 0.00 -0.72 0.00 0.00 41.12 40.70 2gsb n ASP 47 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2gsb h ASN 48 N -0.16 -0.76 -3.59 1.67 -1.24 -2.00 -3.37 115.58 106.13 2gsb h ASN 48 Ca -0.07 0.15 -0.62 0.00 0.71 0.00 0.00 56.30 56.47 2gsb h ASN 48 Cb 0.70 0.38 -0.13 0.00 0.73 0.00 0.00 38.32 39.99 2gsb h ASN 48 CO -0.04 -0.26 -0.01 -0.89 -1.29 0.00 0.00 177.43 174.94 2gsb s THR 49 N -6.10 5.04 -0.58 -3.57 2.01 -1.26 -5.01 115.64 106.16 2gsb s THR 49 Ca -0.15 0.73 -0.27 0.00 0.31 0.00 0.00 61.69 62.31 2gsb s THR 49 Cb 0.13 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 2gsb s THR 49 CO 0.69 -0.02 1.84 -2.16 -0.69 0.00 0.00 174.62 174.28 2gsb s PRO 50 N 2.37 2.72 0.00 4.92 0.04 -1.26 -2.81 135.00 140.97 2gsb s PRO 50 Ca 0.21 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2gsb s PRO 50 Cb -0.15 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2gsb s PRO 50 CO 0.11 -2.62 0.00 0.41 0.04 0.00 0.00 177.00 174.94 2gsb n GLY 51 N 5.66 1.56 3.64 0.56 0.00 -1.26 -5.13 105.19 110.22 2gsb n GLY 51 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2gsb n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gsb s ASP 52 N -2.00 3.49 0.29 1.61 2.15 -1.12 -4.54 116.67 116.54 2gsb s ASP 52 Ca 0.00 -1.63 -0.05 0.00 0.43 0.00 0.00 52.55 51.30 2gsb s ASP 52 Cb 0.00 0.41 -0.01 0.00 -0.30 0.00 0.00 42.92 43.02 2gsb s ASP 52 CO 0.00 -0.84 0.41 -0.31 -0.17 0.00 0.00 175.17 174.26 2gsb s TYR 53 N -3.02 0.87 -0.21 -5.34 2.02 -0.88 -0.99 117.35 109.81 2gsb s TYR 53 Ca 0.17 -1.13 -0.27 0.00 -0.37 0.00 0.00 57.07 55.47 2gsb s TYR 53 Cb 0.03 -0.10 0.08 0.00 -0.40 0.00 0.00 41.96 41.57 2gsb s TYR 53 CO 0.09 -0.99 0.75 -1.12 -1.57 0.00 0.00 175.55 172.71 2gsb s SER 54 N -3.15 -0.68 -0.07 2.29 0.01 -0.66 -1.60 113.70 109.83 2gsb s SER 54 Ca 0.30 1.16 -0.11 0.00 1.31 0.00 0.00 55.95 58.61 2gsb s SER 54 Cb 0.01 1.12 -0.05 0.00 0.21 0.00 0.00 66.02 67.31 2gsb s SER 54 CO 0.15 -0.34 0.27 -0.22 0.41 0.00 0.00 173.24 173.51 2gsb s LEU 55 N -0.12 4.42 -0.29 2.44 2.96 -1.25 -2.60 118.68 124.24 2gsb s LEU 55 Ca -0.03 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.60 2gsb s LEU 55 Cb -0.03 -2.31 0.07 0.00 0.50 0.00 0.00 46.19 44.42 2gsb s LEU 55 CO 0.03 0.35 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.05 2gsb s TYR 56 N -0.93 3.41 0.04 5.38 2.02 -0.94 -1.64 117.35 124.69 2gsb s TYR 56 Ca 0.19 -2.55 0.09 0.00 -0.37 0.00 0.00 57.07 54.43 2gsb s TYR 56 Cb -0.14 -2.28 -0.03 0.00 -0.40 0.00 0.00 41.96 39.11 2gsb s TYR 56 CO 0.08 -0.90 -0.26 0.12 -1.57 0.00 0.00 175.55 173.02 2gsb s PHE 57 N 1.04 2.28 -0.15 2.71 5.36 -1.26 -2.95 117.98 125.02 2gsb s PHE 57 Ca -0.01 -0.41 -0.08 0.00 -0.96 0.00 0.00 56.93 55.47 2gsb s PHE 57 Cb -0.20 -1.38 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 2gsb s PHE 57 CO -0.06 0.10 0.12 0.50 -1.46 0.00 0.00 175.22 174.41 2gsb s ARG 58 N -1.14 3.73 0.13 10.12 6.06 -1.25 -0.54 118.95 136.06 2gsb s ARG 58 Ca 0.11 -0.21 0.11 0.00 -2.50 0.00 0.00 55.73 53.24 2gsb s ARG 58 Cb -0.10 -3.24 -0.04 0.00 0.06 0.00 0.00 34.95 31.63 2gsb s ARG 58 CO 0.02 0.55 -0.25 0.95 -2.50 0.00 0.00 175.30 174.06 2gsb s THR 59 N -0.37 2.36 0.33 4.11 -4.23 0.07 -4.40 115.64 113.51 2gsb s THR 59 Ca 0.11 -1.75 0.26 0.00 -1.18 0.00 0.00 61.69 59.14 2gsb s THR 59 Cb -0.12 -2.06 0.40 0.00 1.34 0.00 0.00 72.50 72.06 2gsb s THR 59 CO 0.01 0.07 1.09 -0.46 -0.54 0.00 0.00 174.62 174.79 2gsb n ASN 60 N 0.83 0.10 0.00 3.99 0.23 -1.26 -1.46 115.26 117.69 2gsb n ASN 60 Ca -0.17 0.88 0.00 0.00 -0.53 0.00 0.00 54.58 54.76 2gsb n ASN 60 Cb 0.53 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 2gsb n ASN 60 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2gsb n GLU 61 N -3.86 0.00 -3.07 -3.83 2.13 -1.26 -5.08 120.64 105.67 2gsb n GLU 61 Ca 0.29 0.24 -0.09 0.00 0.66 0.00 0.00 57.16 58.26 2gsb n GLU 61 Cb 1.18 -0.71 -0.02 0.00 0.27 0.00 0.00 31.44 32.16 2gsb n GLU 61 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2gsb n ASN 62 N -1.39 -0.90 -4.74 4.31 2.85 -0.53 -5.15 115.26 109.72 2gsb n ASN 62 Ca 0.00 -2.19 -0.40 0.00 -0.11 0.00 0.00 54.58 51.88 2gsb n ASN 62 Cb 0.00 1.66 -0.05 0.00 1.24 0.00 0.00 39.78 42.63 2gsb n ASN 62 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2gsb s ILE 63 N -2.66 4.79 0.59 -1.44 1.01 -1.26 -0.75 121.20 121.48 2gsb s ILE 63 Ca 0.18 1.63 0.05 0.00 0.00 0.00 0.00 60.65 62.51 2gsb s ILE 63 Cb -0.01 -4.12 0.11 0.00 0.01 0.00 0.00 42.46 38.45 2gsb s ILE 63 CO 0.13 0.33 0.81 0.00 0.00 0.00 0.00 174.94 176.21 2gsb n GLN 64 N 3.06 0.33 -3.49 2.79 6.02 0.30 -4.95 117.38 121.43 2gsb n GLN 64 Ca -0.02 -2.67 -0.11 0.00 -0.01 0.00 0.00 57.00 54.19 2gsb n GLN 64 Cb 0.50 -0.39 -0.10 0.00 1.02 0.00 0.00 30.24 31.27 2gsb n GLN 64 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2gsb s ARG 65 N -4.60 0.28 0.64 -1.09 3.52 -1.26 -4.02 118.95 112.41 2gsb s ARG 65 Ca 0.57 0.60 0.06 0.00 -0.13 0.00 0.00 55.73 56.84 2gsb s ARG 65 Cb -0.04 -0.39 0.11 0.00 -1.56 0.00 0.00 34.95 33.07 2gsb s ARG 65 CO 0.37 -0.51 0.88 -0.06 -0.81 0.00 0.00 175.30 175.17 2gsb s PHE 66 N 2.49 1.35 -0.02 5.12 0.40 -0.65 -4.97 117.98 121.70 2gsb s PHE 66 Ca 0.07 -0.60 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 2gsb s PHE 66 Cb -0.14 -2.48 -0.00 0.00 0.51 0.00 0.00 43.02 40.91 2gsb s PHE 66 CO -0.13 -1.41 -0.10 0.15 0.70 0.00 0.00 175.22 174.42 2gsb s LYS 67 N -4.86 0.97 -0.11 0.44 1.02 -1.26 -3.78 119.74 112.15 2gsb s LYS 67 Ca 0.64 -0.36 -0.01 0.00 0.02 0.00 0.00 55.97 56.27 2gsb s LYS 67 Cb -0.05 -0.91 0.03 0.00 -0.52 0.00 0.00 37.83 36.38 2gsb s LYS 67 CO 0.41 0.17 -0.04 0.42 -0.92 0.00 0.00 175.35 175.39 2gsb s ILE 68 N -0.01 0.81 -0.10 2.17 1.01 -0.62 -4.13 121.20 120.33 2gsb s ILE 68 Ca -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.42 2gsb s ILE 68 Cb -0.07 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2gsb s ILE 68 CO 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 174.94 175.10 2gsb s PRO 70 N -0.24 4.46 0.07 0.00 0.04 -1.26 -0.49 135.00 137.58 2gsb s PRO 70 Ca 0.02 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.16 2gsb s PRO 70 Cb -0.13 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2gsb s PRO 70 CO 0.03 -0.04 0.02 0.95 0.04 0.00 0.00 177.00 177.99 2gsb s THR 71 N -1.10 4.15 -1.69 1.26 -4.23 -0.57 -4.88 115.64 108.59 2gsb s THR 71 Ca 0.48 -0.86 0.15 0.00 -1.18 0.00 0.00 61.69 60.27 2gsb s THR 71 Cb -0.37 -2.96 0.34 0.00 1.34 0.00 0.00 72.50 70.86 2gsb s THR 71 CO 0.48 0.17 1.38 -0.81 -0.54 0.00 0.00 174.62 175.30 2gsb n PRO 72 N 0.71 0.34 -2.08 3.99 -0.04 -1.26 -3.35 135.00 133.31 2gsb n PRO 72 Ca -0.11 0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.06 2gsb n PRO 72 Cb 0.52 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 2gsb n PRO 72 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2gsb n ASN 73 N -1.15 6.77 -4.05 3.54 0.23 -1.26 -4.89 115.26 114.44 2gsb n ASN 73 Ca 0.09 -3.81 -0.29 0.00 -0.53 0.00 0.00 54.58 50.05 2gsb n ASN 73 Cb 0.09 -0.91 -0.07 0.00 -2.08 0.00 0.00 39.78 36.81 2gsb n ASN 73 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2gsb n ASN 74 N -0.52 0.16 -2.15 0.53 3.02 -1.21 -4.87 115.26 110.22 2gsb n ASN 74 Ca 0.50 -1.10 -0.08 0.00 -0.03 0.00 0.00 54.58 53.87 2gsb n ASN 74 Cb 0.35 -1.36 -0.01 0.00 -0.61 0.00 0.00 39.78 38.15 2gsb n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gsb n GLN 75 N -4.13 0.47 -4.31 3.52 6.02 -1.24 -4.77 117.38 112.94 2gsb n GLN 75 Ca -0.25 -1.57 -0.17 0.00 -0.01 0.00 0.00 57.00 55.00 2gsb n GLN 75 Cb 0.58 1.60 -0.10 0.00 1.02 0.00 0.00 30.24 33.34 2gsb n GLN 75 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gsb s PHE 76 N -4.08 1.52 -0.20 1.08 0.40 -1.11 -1.51 117.98 114.09 2gsb s PHE 76 Ca 0.15 -0.68 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 2gsb s PHE 76 Cb -0.01 -0.75 0.02 0.00 0.51 0.00 0.00 43.02 42.79 2gsb s PHE 76 CO 0.11 0.21 -0.16 -1.64 0.70 0.00 0.00 175.22 174.44 2gsb s MET 77 N -3.71 2.97 -0.57 0.44 -1.94 0.35 -2.78 119.30 114.06 2gsb s MET 77 Ca 0.21 -0.86 0.04 0.00 -1.71 0.00 0.00 55.69 53.37 2gsb s MET 77 Cb 0.01 -2.70 0.15 0.00 2.01 0.00 0.00 34.83 34.31 2gsb s MET 77 CO 0.04 -0.26 0.37 1.41 -0.01 0.00 0.00 175.02 176.57 2gsb s MET 78 N 1.30 1.94 -0.02 2.03 1.75 -1.22 -2.09 119.30 123.00 2gsb s MET 78 Ca 0.03 -2.77 -0.00 0.00 -1.25 0.00 0.00 55.69 51.71 2gsb s MET 78 Cb -0.14 -2.97 -0.00 0.00 2.84 0.00 0.00 34.83 34.56 2gsb s MET 78 CO -0.10 -1.23 0.02 0.41 -0.65 0.00 0.00 175.02 173.47 2gsb n GLY 79 N 2.67 0.69 3.73 2.11 0.00 -1.26 -4.11 105.19 109.02 2gsb n GLY 79 Ca 0.15 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 2gsb n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsb n GLY 80 N -1.42 -0.50 3.29 -0.02 0.00 -1.26 -4.97 105.19 100.31 2gsb n GLY 80 Ca -0.00 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 2gsb n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsb s ARG 81 N -6.43 1.35 -0.05 1.61 0.52 -1.26 -5.16 118.95 109.52 2gsb s ARG 81 Ca 0.59 -1.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 2gsb s ARG 81 Cb -0.29 -0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.00 2gsb s ARG 81 CO 0.73 -0.29 -0.09 0.71 0.02 0.00 0.00 175.30 176.39 2gsb s TYR 82 N -3.80 1.12 0.02 -0.53 2.02 -1.26 -3.38 117.35 111.53 2gsb s TYR 82 Ca 0.36 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 2gsb s TYR 82 Cb 0.08 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.75 2gsb s TYR 82 CO 0.12 -0.23 -0.04 0.71 -1.57 0.00 0.00 175.55 174.54 2gsb s TYR 83 N 0.74 0.38 0.28 2.71 1.51 -1.12 -5.02 117.35 116.83 2gsb s TYR 83 Ca -0.13 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.53 2gsb s TYR 83 Cb -0.15 -0.24 0.55 0.00 -0.11 0.00 0.00 41.96 42.01 2gsb s TYR 83 CO 0.02 -0.09 1.58 -0.97 -1.11 0.00 0.00 175.55 174.98 2gsb h ASN 84 N 5.09 -0.67 -4.22 2.29 -1.24 -1.90 -2.92 115.58 112.01 2gsb h ASN 84 Ca -0.31 0.27 0.20 0.00 0.71 0.00 0.00 56.30 57.17 2gsb h ASN 84 Cb 1.20 0.52 -0.19 0.00 0.73 0.00 0.00 38.32 40.58 2gsb h ASN 84 CO 0.44 -0.31 0.72 -0.44 -1.29 0.00 0.00 177.43 176.55 2gsb s SER 85 N -5.16 -0.21 0.18 1.15 0.01 -1.26 -4.28 113.70 104.14 2gsb s SER 85 Ca -0.14 0.06 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 2gsb s SER 85 Cb 0.27 0.21 0.25 0.00 0.21 0.00 0.00 66.02 66.95 2gsb s SER 85 CO 0.77 -0.32 1.12 -0.38 0.41 0.00 0.00 173.24 174.85 2gsb n ILE 86 N 0.03 -0.34 -0.28 1.44 5.41 -1.26 0.15 119.36 124.51 2gsb n ILE 86 Ca -0.03 1.67 0.10 0.00 1.00 0.00 0.00 62.75 65.49 2gsb n ILE 86 Cb 0.59 -2.26 0.24 0.00 -0.71 0.00 0.00 39.64 37.50 2gsb n ILE 86 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2gsb h GLY 87 N 0.00 1.18 0.79 7.39 0.00 -1.98 -1.57 103.07 108.87 2gsb h GLY 87 Ca 0.30 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 2gsb h GLY 87 CO -0.73 -0.31 -0.18 -0.55 0.00 0.00 0.00 176.54 174.77 2gsb h ASP 88 N 0.20 -0.43 -1.62 0.19 5.19 0.96 -2.84 116.42 118.08 2gsb h ASP 88 Ca 0.49 -0.10 0.48 0.00 -0.62 0.00 0.00 57.03 57.28 2gsb h ASP 88 Cb 0.94 0.11 -0.08 0.00 0.18 0.00 0.00 39.33 40.48 2gsb h ASP 88 CO -0.63 -0.14 1.15 -0.38 -3.12 0.00 0.00 179.24 176.12 2gsb n ILE 89 N -5.22 -0.04 0.15 0.35 5.41 -0.61 -0.05 119.36 119.36 2gsb n ILE 89 Ca -0.10 1.33 -0.07 0.00 1.00 0.00 0.00 62.75 64.91 2gsb n ILE 89 Cb 0.27 -2.21 -0.03 0.00 -0.71 0.00 0.00 39.64 36.96 2gsb n ILE 89 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2gsb h ILE 90 N 0.00 0.00 -1.05 1.39 2.04 -1.32 -2.60 117.51 115.97 2gsb h ILE 90 Ca 0.80 -0.43 0.29 0.00 1.00 0.00 0.00 64.86 66.51 2gsb h ILE 90 Cb 3.12 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 39.08 2gsb h ILE 90 CO -0.08 0.00 0.64 0.44 0.00 0.00 0.00 178.15 179.15 2gsb h ASP 91 N -0.88 0.52 -0.39 1.72 5.19 -0.49 0.29 116.42 122.39 2gsb h ASP 91 Ca -0.05 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 2gsb h ASP 91 Cb 0.34 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 2gsb h ASP 91 CO 0.07 0.02 0.10 -0.74 -3.12 0.00 0.00 179.24 175.57 2gsb h HIS 92 N 0.42 0.66 -0.05 4.55 2.76 -1.36 -2.80 115.15 119.32 2gsb h HIS 92 Ca 0.66 -0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 58.66 2gsb h HIS 92 Cb 1.54 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 30.31 2gsb h HIS 92 CO -0.01 0.63 -0.40 1.88 -1.30 0.00 0.00 177.93 178.74 2gsb h TYR 93 N 0.49 0.12 -0.97 5.26 0.05 -0.14 -2.22 116.97 119.56 2gsb h TYR 93 Ca 0.12 -0.03 0.22 0.00 0.05 0.00 0.00 58.73 59.09 2gsb h TYR 93 Cb 0.31 -0.03 -0.09 0.00 1.01 0.00 0.00 36.73 37.93 2gsb h TYR 93 CO 0.02 0.49 0.62 0.00 -1.05 0.00 0.00 178.16 178.24 2gsb h ARG 94 N 0.09 0.49 0.00 4.88 3.08 -0.62 0.14 114.38 122.44 2gsb h ARG 94 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2gsb h ARG 94 Cb 0.75 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2gsb h ARG 94 CO 0.06 0.33 -1.19 1.63 -1.07 0.00 0.00 179.97 179.72 2gsb n LYS 95 N -4.61 0.15 -3.97 0.04 5.02 -1.11 -4.78 118.16 108.91 2gsb n LYS 95 Ca 0.22 -0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 56.17 2gsb n LYS 95 Cb 0.71 -1.51 -0.16 0.00 -0.02 0.00 0.00 35.03 34.05 2gsb n LYS 95 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2gsb s GLU 96 N -3.12 1.94 -0.27 1.97 0.41 0.48 -5.08 118.70 115.02 2gsb s GLU 96 Ca 0.05 -0.66 -0.33 0.00 -0.41 0.00 0.00 54.97 53.62 2gsb s GLU 96 Cb 0.16 -2.19 -0.09 0.00 -1.78 0.00 0.00 34.13 30.22 2gsb s GLU 96 CO 0.87 -0.37 2.16 1.04 -0.49 0.00 0.00 175.26 178.47 2gsb n GLN 97 N 4.76 1.49 -0.09 1.61 6.02 -1.25 -4.31 117.38 125.61 2gsb n GLN 97 Ca -0.14 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 2gsb n GLN 97 Cb 0.48 -2.72 0.29 0.00 1.02 0.00 0.00 30.24 29.31 2gsb n GLN 97 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 2gsb h ILE 98 N 6.89 1.18 -0.66 5.09 2.10 -1.66 -3.44 117.51 127.00 2gsb h ILE 98 Ca -0.34 -0.52 -0.54 0.00 1.08 0.00 0.00 64.86 64.54 2gsb h ILE 98 Cb 1.29 0.53 -0.01 0.00 -1.09 0.00 0.00 36.82 37.55 2gsb h ILE 98 CO 0.99 0.21 -0.19 -0.69 -1.08 0.00 0.00 178.15 177.39 2gsb s VAL 99 N -5.40 1.89 0.40 2.19 1.01 -1.25 -4.94 120.40 114.30 2gsb s VAL 99 Ca -0.09 -1.24 0.35 0.00 0.00 0.00 0.00 61.98 61.00 2gsb s VAL 99 Cb 0.17 -2.13 0.52 0.00 0.00 0.00 0.00 36.38 34.94 2gsb s VAL 99 CO 0.77 0.00 1.20 -1.84 0.00 0.00 0.00 175.10 175.23 2gsb n GLU 100 N -2.02 -0.01 0.00 2.72 0.28 -1.26 -3.34 120.64 117.01 2gsb n GLU 100 Ca 0.07 0.87 0.00 0.00 -0.16 0.00 0.00 57.16 57.95 2gsb n GLU 100 Cb 0.63 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 31.58 2gsb n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gsb n GLY 101 N -1.62 -0.17 3.22 -1.84 0.00 -1.26 -5.06 105.19 98.46 2gsb n GLY 101 Ca 0.33 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 2gsb n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gsb s TYR 102 N 0.00 1.62 0.22 1.61 1.51 -1.21 -5.05 117.35 116.05 2gsb s TYR 102 Ca 0.00 -0.37 0.10 0.00 -1.01 0.00 0.00 57.07 55.79 2gsb s TYR 102 Cb 0.00 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 2gsb s TYR 102 CO 0.00 0.09 -0.12 0.71 -1.11 0.00 0.00 175.55 175.12 2gsb s TYR 103 N -0.87 2.53 -0.90 2.71 2.02 -1.26 -2.18 117.35 119.39 2gsb s TYR 103 Ca 0.05 -0.26 -0.20 0.00 -0.37 0.00 0.00 57.07 56.29 2gsb s TYR 103 Cb -0.09 -1.19 0.10 0.00 -0.40 0.00 0.00 41.96 40.39 2gsb s TYR 103 CO 0.02 0.57 1.17 -0.51 -1.57 0.00 0.00 175.55 175.23 2gsb s LEU 104 N -3.11 4.63 0.00 -1.29 1.43 -1.26 -4.89 118.68 114.19 2gsb s LEU 104 Ca 0.26 -1.75 -0.01 0.00 -1.03 0.00 0.00 54.13 51.60 2gsb s LEU 104 Cb -0.07 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 2gsb s LEU 104 CO 0.15 -1.22 0.97 0.11 0.23 0.00 0.00 176.35 176.60 2gsb h LYS 105 N 9.15 -0.04 -2.91 1.70 1.57 -1.96 -3.47 116.57 120.61 2gsb h LYS 105 Ca 0.09 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 2gsb h LYS 105 Cb 1.03 0.01 -0.24 0.00 0.08 0.00 0.00 32.23 33.11 2gsb h LYS 105 CO 1.18 -0.03 -0.29 -1.83 -0.57 0.00 0.00 179.45 177.91 2gsb s GLU 106 N -3.01 0.47 0.48 3.15 -1.05 -1.19 -5.08 118.70 112.47 2gsb s GLU 106 Ca -0.01 0.35 -0.22 0.00 -0.15 0.00 0.00 54.97 54.94 2gsb s GLU 106 Cb 0.00 0.22 -0.07 0.00 -0.44 0.00 0.00 34.13 33.84 2gsb s GLU 106 CO 0.02 -0.08 1.15 -1.25 0.95 0.00 0.00 175.26 176.06 2gsb s PRO 107 N -0.13 3.65 -0.05 -4.83 0.04 -1.26 -3.75 135.00 128.67 2gsb s PRO 107 Ca -0.03 1.73 -0.35 0.00 0.04 0.00 0.00 61.00 62.39 2gsb s PRO 107 Cb -0.03 -2.30 -0.13 0.00 0.04 0.00 0.00 34.50 32.09 2gsb s PRO 107 CO 0.01 -0.63 1.80 0.28 0.04 0.00 0.00 177.00 178.50 2gsb n VAL 108 N -0.70 0.44 -1.22 -0.36 0.31 -0.07 -4.83 118.33 111.89 2gsb n VAL 108 Ca 0.08 -0.08 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 2gsb n VAL 108 Cb 0.49 -1.74 0.12 0.00 -0.91 0.00 0.00 33.84 31.80 2gsb n VAL 108 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2gsb s PRO 109 N 3.36 1.69 0.32 5.55 0.04 -1.26 -4.49 135.00 140.21 2gsb s PRO 109 Ca 0.90 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.95 2gsb s PRO 109 Cb -0.73 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.03 2gsb s PRO 109 CO 0.50 -1.99 0.45 -1.33 0.04 0.00 0.00 177.00 174.67 2gsb n MET 110 N -3.73 0.57 -1.40 4.56 2.81 -1.26 -4.94 117.12 113.74 2gsb n MET 110 Ca 0.08 -1.50 -0.19 0.00 -1.81 0.00 0.00 57.70 54.28 2gsb n MET 110 Cb 0.54 -0.21 0.10 0.00 -0.71 0.00 0.00 33.22 32.95 2gsb n MET 110 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2gsb n GLN 111 N -1.76 2.71 -1.48 0.03 3.00 -1.26 -5.05 117.38 113.57 2gsb n GLN 111 Ca 0.08 -3.60 -0.53 0.00 -0.01 0.00 0.00 57.00 52.94 2gsb n GLN 111 Cb 0.30 -2.10 -0.05 0.00 0.00 0.00 0.00 30.24 28.39 2gsb n GLN 111 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2gsb n ASP 112 N -0.92 -0.22 -3.90 1.08 2.03 -1.26 -0.21 116.55 113.15 2gsb n ASP 112 Ca 0.44 1.15 -0.28 0.00 0.52 0.00 0.00 54.79 56.62 2gsb n ASP 112 Cb 0.93 -0.98 -0.07 0.00 -0.72 0.00 0.00 41.12 40.28 2gsb n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gsb n GLN 113 N 1.36 -0.89 -0.43 -0.67 1.13 -1.26 -4.68 117.38 111.94 2gsb n GLN 113 Ca 0.18 0.08 0.38 0.00 -1.94 0.00 0.00 57.00 55.71 2gsb n GLN 113 Cb 0.17 -3.12 0.65 0.00 0.11 0.00 0.00 30.24 28.05 2gsb n GLN 113 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2gsb n SER 114 N -2.02 0.23 -4.37 1.08 2.88 0.71 -4.56 113.62 107.57 2gsb n SER 114 Ca -0.13 1.40 -0.41 0.00 -1.33 0.00 0.00 58.87 58.40 2gsb n SER 114 Cb 0.47 -0.69 0.01 0.00 -0.75 0.00 0.00 64.21 63.26 2gsb n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gsb n GLY 115 N -1.46 -2.18 0.18 0.46 0.00 -1.26 -4.89 105.19 96.04 2gsb n GLY 115 Ca 0.39 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 2gsb n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gsb h PRO 116 N 0.44 0.57 -5.27 1.61 0.13 -2.00 -3.43 132.00 124.05 2gsb h PRO 116 Ca -0.40 -0.30 -0.54 0.00 -0.87 0.00 0.00 66.00 63.89 2gsb h PRO 116 Cb 1.42 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.50 2gsb h PRO 116 CO 0.48 0.90 1.67 0.45 -0.23 0.00 0.00 178.00 181.27 2gsb n SER 117 N -4.37 0.76 -0.22 1.44 2.88 -1.26 -4.76 113.62 108.09 2gsb n SER 117 Ca -0.05 0.15 -0.04 0.00 -1.33 0.00 0.00 58.87 57.59 2gsb n SER 117 Cb 0.43 -1.04 0.13 0.00 -0.75 0.00 0.00 64.21 62.98 2gsb n SER 117 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2gsb h SER 118 N 12.84 0.95 0.00 -3.46 0.87 -1.97 -3.52 113.55 119.27 2gsb h SER 118 Ca -0.10 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2gsb h SER 118 Cb 1.32 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2gsb h SER 118 CO 1.30 0.88 0.00 0.61 -0.53 0.00 0.00 176.83 179.09